SCHEMBL6231085

SCHEMBL6231085

CCN1CCCC1CN(c1ccc(OC)c(F)c1)c1nc(N)nc(NCc2cccs2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.36
LMNA P02545 5/20 0.35
MAPT P10636 4/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
F2 P00734 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RECQL P46063 1/20 0.34
DRD3 P35462 3/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2D6 P10635 3/20 0.33
TSHR P16473 2/20 0.33
CYP2C19 P33261 2/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2B P41595 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6427795 0.91 DRD2 (0.36) DRD2LMNAMAPTKDM4EALDH1A1
SCHEMBL5412204 0.88 KDM4E (0.40) DRD2LMNAKDM4EALDH1A1HPGD
SCHEMBL6232227 0.87 ALDH1A1 (0.40) DRD2LMNAMAPTKDM4EALDH1A1
SCHEMBL5553593 0.86 DRD2 (0.38) DRD2LMNAMAPTDRD3CYP1A2
SCHEMBL5554025 0.86 GALR1 (0.38) DRD2LMNAMAPTDRD3CYP1A2
SCHEMBL6607362 0.85 GALR1 (0.39) DRD2LMNAMAPTDRD3CYP1A2
SCHEMBL5553494 0.85 DRD2 (0.36) DRD2LMNAMAPTDRD3CYP1A2
SCHEMBL6428048 0.85 DRD2 (0.34) DRD2LMNAMAPTDRD3CYP1A2
SCHEMBL5553510 0.85 DRD2 (0.36) DRD2LMNAMAPTDRD3CYP1A2
SCHEMBL5555726 0.83 DRD2 (0.34) DRD2LMNAMAPTKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560817-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS Reddy US Therapeutics, Inc. (US) 2005-08-10 EP claimed
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-09 US claimed
WO-2004026844-A1 METHODS AND COMPOSITIONS OF NOVEL TRIAZINE COMPOUNDS REDDY US THERAPEUTICS, INC. (US) 2004-04-01 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050124619-A1 Medical devices employing triazine compounds and compositions thereof PTGIS, AREG, TGFB1 DRD2 4763/4885LMNA 3439/4885MAPT 3475/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.